CID 5274540

1-(4-nitrophenyl)-3-(1h-tetrazol-5-yl)-5,9b-dihydro-4ah-pyrido[3,2-b]indol-2-one

Structural Information

Molecular Formula
C18H13N7O3
SMILES
C1=CC=C2C(=C1)C3C(N2)C=C(C(=O)N3C4=CC=C(C=C4)[N+](=O)[O-])C5=NNN=N5
InChI
InChI=1S/C18H13N7O3/c26-18-13(17-20-22-23-21-17)9-15-16(12-3-1-2-4-14(12)19-15)24(18)10-5-7-11(8-6-10)25(27)28/h1-9,15-16,19H,(H,20,21,22,23)
InChIKey
CGTCNJPJTOXPCT-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-3-(2H-tetrazol-5-yl)-5,9b-dihydro-4aH-pyrido[3,2-b]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.108 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.11528 183.1
[M+Na]+ 398.09722 190.0
[M-H]- 374.10072 186.1
[M+NH4]+ 393.14182 189.4
[M+K]+ 414.07116 178.3
[M+H-H2O]+ 358.10526 176.0
[M+HCOO]- 420.10620 195.6
[M+CH3COO]- 434.12185 207.3
[M+Na-2H]- 396.08267 187.8
[M]+ 375.10745 177.7
[M]- 375.10855 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.